3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

C19H15ClN2O2 — CID 693396

IUPAC3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C19H15ClN2O2/c1-24-18-10-9-14(16-7-2-3-8-17(16)18)12-21-22-19(23)13-5-4-6-15(20)11-13/h2-12H,1H3,(H,22,23)
InChIKeyKOCKHNLAQRMUTN-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.27
Rot. Bonds4

About 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 693396) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID693396
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C19H15ClN2O2/c1-24-18-10-9-14(16-7-2-3-8-17(16)18)12-21-22-19(23)13-5-4-6-15(20)11-13/h2-12H,1H3,(H,22,23)
InChIKeyKOCKHNLAQRMUTN-UHFFFAOYSA-N
XLogP4.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 715847
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3616632
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 693396) is 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is KOCKHNLAQRMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-24-18-10-9-14(16-7-2-3-8-17(16)18)12-21-22-19(23)13-5-4-6-15(20)11-13/h2-12H,1H3,(H,22,23).
What are the key properties of 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 338.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 693396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).